N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)-2-[(1-methyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-[(1-methylbenzimidazol-2-yl)thio]acetamide Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3N2C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3N2C)C4=CC=CC=C4)C

InChI

InChI=1S/C23H21N5OS/c1-15-16(2)28(17-9-5-4-6-10-17)22(18(15)13-24)26-21(29)14-30-23-25-19-11-7-8-12-20(19)27(23)3/h4-12H,14H2,1-3H3,(H,26,29)